SCHEMBL18200666

SCHEMBL18200666

c1ccc(-c2cn3cc(-c4cccc(-c5cc6c(-c7ccc8ccccc8c7)nc7ccccc7c6c6ccccc56)c4)ccc3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A3 P47895 13/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ ALDH1A2 O94788 1/20 0.48
▸ SLC2A1 P11166 1/20 0.45
▸ NR4A2 P43354 4/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CDK5 Q00535 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CDK5R1 Q15078 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ EGLN1 Q9GZT9 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18346995 0.94 ALDH1A3 (0.53) ALDH1A3ALDH1A1ALDH1A2SLC2A1NR4A2
SCHEMBL18200657 0.90 BACE1 (0.43) ALDH1A3ALDH1A1ALDH1A2NPC1RAB9A
SCHEMBL18200677 0.89 TLR9 (0.39) ALDH1A3ALDH1A1ALDH1A2NPC1RAB9A
SCHEMBL18200659 0.89 BACE1 (0.46) ALDH1A1NPC1RAB9AKDM4ETP53
SCHEMBL18201092 0.87 ALDH1A3 (0.53) ALDH1A3ALDH1A1ALDH1A2SLC2A1NR4A2
SCHEMBL18200933 0.87 BACE1 (0.45) ALDH1A1NPC1RAB9AKDM4ETP53
SCHEMBL18200921 0.84 SCD (0.42) ALDH1A3ALDH1A1ALDH1A2SLC2A1NPC1
SCHEMBL18200919 0.84 RAB9A (0.45) ALDH1A3ALDH1A1ALDH1A2NPC1RAB9A
SCHEMBL18200815 0.83 ACACA (0.41) ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL17915287 0.83 ALDH1A3 (0.57) ALDH1A3ALDH1A1ALDH1A2SLC2A1NR4A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 — — US disclosed
US-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 — — US disclosed
US-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME HEESUNG MATERIAL LTD. (KR) 2016-12-29 — — US disclosed
EP-3088392-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME Heesung Material Ltd. (KR) 2016-11-02 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME NOTUM, DDT, CRY1 ALDH1A3 73/4885ALDH1A1 85/4885ALDH1A2 11/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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